%nprocshared=24
%mem=41GB
#p opt=(loose,modredundant,calcfc,ts,noeigentest,maxstep=8) b3lyp genecp scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024,conver=6) int(grid=fine)

Loose ts

0 1
 C                 -3.24172800    0.40736300   -3.36492500
 C                 -3.15400200    1.47249700   -2.37405400
 C                 -2.31985100    2.57464800   -2.59491400
 C                 -1.52119600    2.64130200   -3.80393400
 C                 -1.59689800    1.61059100   -4.73718000
 C                 -2.47846300    0.47704800   -4.52697600
 C                 -3.36587000   -0.85956600   -2.66387900
 C                 -3.35519100   -0.57183100   -1.23916900
 C                 -3.23875100    0.86669500   -1.06016300
 C                 -2.45738100    1.37209100   -0.01115700
 C                 -1.51134300    3.10146200   -1.50924400
 C                 -0.22816400    3.22425400   -3.47550100
 C                  0.93285200    2.75863400   -4.09871700
 C                  0.85131500    1.68958000   -5.07465900
 C                 -0.38289600    1.11055400   -5.33589600
 C                 -0.51971100   -0.30812300   -5.56298100
 C                 -1.81161500   -0.71153900   -5.03930700
 C                 -1.93247600   -1.92715600   -4.37164700
 C                 -2.72517500   -2.00103900   -3.15572900
 C                 -2.70100600   -1.44585600   -0.36998400
 C                 -2.03668400   -2.62838100   -0.87916600
 C                 -2.04577800   -2.90888600   -2.24649900
 C                 -0.84493300   -3.40022100   -2.89778200
 C                 -0.76570100   -2.78532100   -4.20801800
 C                  0.47163200   -2.40042000   -4.73620400
 C                  0.59558500   -1.13077800   -5.42739900
 C                  1.88768600   -0.54711100   -5.09896200
 C                  2.01277600    0.83433300   -4.92787000
 C                 -0.22067800    3.50577800   -2.05383900
 C                  3.47399100    0.78692400   -1.54893700
 C                  2.83670900    1.92916200   -1.05868000
 C                  2.03967300    1.85556500    0.15783200
 C                  1.89978500    0.62872800    0.81010700
 C                  2.56770200   -0.56160000    0.30549400
 C                  3.26387900   -1.54415200   -1.83061300
 C                  3.33803400   -0.93814800   -3.14735000
 C                  3.46774900    0.50222800   -2.97286800
 C                  2.81937700    1.37388100   -3.84868000
 C                  2.15219500    2.56335400   -3.33677300
 C                  2.16041200    2.83709800   -1.96868800
 C                  0.87819700    2.70974300   -0.00044600
 C                 -0.36122100    2.31260500    0.51496900
 C                 -0.48717700    1.04732800    1.20923300
 C                  0.62371500    0.23451800    1.34763200
 C                  1.71369300   -1.69846800    0.54128100
 C                  1.62318300   -2.71012300   -0.39889600
 C                  2.41528900   -2.63528500   -1.61102600
 C                  2.56045000   -1.45169900   -4.18768700
 C                  1.68425400   -2.59419900   -3.96012900
 C                  1.61276800   -3.17200400   -2.69306700
 C                  0.32443200   -3.58195500   -2.14386700
 C                  0.33394800   -3.32429400   -0.72412200
 C                 -0.81483200   -2.81285900   -0.10922800
 C                 -0.74787800   -1.77887500    0.88929400
 C                 -1.87902700   -0.91110300    0.70847800
 C                 -1.80065900    0.47649800    0.91373200
 C                  0.95087600    3.31975100   -1.31531700
 C                 -1.57849700    2.51446300   -0.24608500
 C                  3.35025400   -0.48420100   -0.84745200
 C                  0.51886400   -1.24986400    1.30618900
 C                  0.82234000   -1.62852600    3.19739000
 N                  0.53223000   -1.43109700    4.32005800
 K                  1.06309300   -2.04637100    7.08857500
 K                  1.87258900    1.58609900    4.47900300
 N                  2.04400300    0.67321300    7.18809500
 C                 -1.78026100   -1.69150600    7.61820600
 C                 -0.82511400    2.61146800    4.57730900
 C                  1.27732100    1.25108200    7.87387000
 N                 -2.51872600   -0.83729000    7.27672300
 N                 -1.85830900    2.29432300    5.04908400
 K                 -1.60938800    1.85344200    7.90024000
 K                 -2.39726000   -0.46327800    4.42388700

15 61 F

C N 0
6-31G(d)
****
K 0
LanL2DZ
****

K 0
LanL2DZ

solventname=c60
eps=4.08
epsinf=3.83



